0 B11R0.148 NCCOCCOCCC(=O)O P36036 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.148 O=C(O)CCOCCOCCO P41642 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O P41527 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.4 CCCCCCCCB(O)O Q66526 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.4 NCCCCCCCC(=O)O P43125 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.71 NCCCCCCCCCO P42705 [1,0,0,0,0,0|1,0,2]=4 6 B12R0.234 COCCOCCOCCC(=O)O P39838 [0,1,0,0,0,0|3,0,0]=4 7 B12R0.248 COC(=O)CCCCCCCCBr P36645 [0,1,0,0,0,0|1,0,0]=2 8 B12R0.248 COC(=O)CCCCCCN=[N+]=[N-] P42904 [0,1,0,0,0,0|3,0,0]=4 9 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O P41285 [0,1,0,0,0,0|1,0,2]=4 10 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O P42531 [0,1,0,0,0,0|1,0,2]=4 11 B12R0.251 CCCCCCCCC(N)C(=O)O P40474 [0,1,0,0,0,0|1,0,0]=2 12 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O P35862 [0,1,0,0,0,0|1,0,0]=2 13 B12R0.251 CCCCCCCC[C@H](N)C(=O)O P35861 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.125 C=C(C)CNC1CCCCC1C Q59666 [0,0,0,1,0,0|2,0,0]=3 15 B12R1.130 CN1CCCC1COCC(=O)O Q60895 [0,0,0,1,0,0|3,0,0]=4 16 B12R1.130 CN1CCC[C@H]1COCC(=O)O Q60802 [0,0,0,1,0,0|3,0,0]=4 17 B12R1.252 CC(=O)NCCC1CCCNC1 Q57546 [0,0,0,1,0,0|2,0,0]=3 18 B12R1.252 CC(C)CCCC1CCCCN1 L19983 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.252 CC(O)CNCC1CCCCC1 Q59649 [0,0,0,1,0,0|1,0,2]=4 20 B12R1.252 CN(C)CCCC1CCNCC1 Q59906 [0,0,0,1,0,0|3,0,0]=4 21 B12R1.252 CN(C)CCNC1CCCCC1 S72483 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.252 O=C(O)CCCN1CCOCC1 P37268 [0,0,0,1,0,0|3,0,0]=4 23 B12R1.252 O=C(O)CCCN1CCOCC1 P38345 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.252 O=C(O)CCNC1CCNCC1 Q57557 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.252 O=C(O)CCOC1CCOCC1 Q57634 [0,0,0,1,0,0|3,0,0]=4 26 B12R1.257 CC(=O)NCCCNC1CSC1 Q58970 [0,0,0,1,0,0|3,0,0]=4 27 B12R1.283 CCCC1OCCCC1C(=O)O Q57665 [0,0,0,1,0,0|2,0,0]=3 28 B9R0.2 CNCCCCCC(=O)O P42203 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.2 O=C(O)CCCCCCBr P38930 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.45 NCCCCCCCCO P40196 [2,0,0,0,0,0|1,0,1]=4 31 B11R0.40 COC(=O)CCCCCCCN P36122 [1,1,0,0,0,0|1,0,0]=3 32 B11R0.42 CCCCCCCC(N)C(=O)O P37523 [1,1,0,0,0,0|1,0,0]=3 33 B11R0.42 CCCCCCC[C@H](N)C(=O)O P41641 [1,1,0,0,0,0|1,0,0]=3 34 B11R0.3 NCCCCCCCCCCO P39512 [1,1,0,0,0,0|0,0,2]=4 35 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] M15651 [0,2,0,0,0,0|1,0,1]=4 36 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O P41330 [0,2,0,0,0,0|2,0,0]=4 37 B13R0.147 COC(=O)CCCCCCCCCBr P39204 [0,2,0,0,0,0|0,0,0]=2 38 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O P41726 [0,2,0,0,0,0|1,0,0]=3 39 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O P42046 [0,2,0,0,0,0|1,0,0]=3 40 B13R0.2 CCOC(=O)CCCCCCCCBr P39055 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.53 CCC1CNCCC1C(N)=O Q65274 [1,0,0,1,0,0|2,0,0]=4 42 B11R1.57 CCN1CCCC1CC(=O)O Q59220 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.86 CN1CCCCC1CC(=O)O Q60600 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O P45493 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.90 CN1CCCC1CCC(=O)O Q60694 [1,0,0,1,0,0|2,0,0]=4 46 B11R1.91 CC(=O)NCC1CCNCC1 Q53352 [1,0,0,1,0,0|2,0,0]=4 47 B11R1.91 O=C(O)CCC1CCCCN1 S72480 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.91 O=C(O)CCC1CCCOC1 Q57648 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.91 O=C(O)CCC1CCNCC1 P37756 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.91 O=C(O)CCC1CCOCC1 Q52716 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.91 O=C(O)COC1CCCCC1 P36437 [1,0,0,1,0,0|2,0,0]=4 52 B11R1.172 O=C(O)CCCN1CCCC1 P35755 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO L21662 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO Q56177 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.742 O=C(O)CC1CCCCCC1 P38069 [1,0,0,1,0,0|1,0,0]=3 56 B11R1.28 CCCCNC1CCCSC1 Q57936 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.28 CNCCCC1CCCCC1 P37923 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.28 CNCCCC1CCCCC1 P40072 [1,0,0,1,0,0|1,0,0]=3 59 B13R1.158 CN1CCCCC1COCC(=O)O Q60803 [0,1,0,1,0,0|2,0,0]=4 60 B13R1.337 NC(=O)CNCCC1CCCCC1 Q59490 [0,1,0,1,0,0|1,0,0]=3 61 B13R1.513 NC1CCN(CCCC(=O)O)CC1 Q57582 [0,1,0,1,0,0|2,0,0]=4 62 B13R1.90 CCC1CCCCC1NCC(C)O Q59787 [0,1,0,1,0,0|0,0,2]=4 63 B13R1.718 CNC(=O)CCOC1CCNCC1 Q59859 [0,1,0,1,0,0|2,0,0]=4 64 B13R1.718 COC(=O)CCCC1CCCCN1 Q65286 [0,1,0,1,0,0|1,0,0]=3 65 B13R1.718 COC(=O)CCNC1CCOCC1 Q57640 [0,1,0,1,0,0|2,0,0]=4 66 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O P42487 [0,1,0,1,0,0|1,0,0]=3 67 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O P36394 [0,1,0,1,0,0|1,0,0]=3 68 B13R1.45 C=C(C)CNC(C)C1CCCCC1 Q59817 [0,1,0,1,0,0|2,0,0]=4 69 B13R1.45 CC(NCC(=O)O)C1CCCCC1 Q59738 [0,1,0,1,0,0|2,0,0]=4 70 B13R1.45 CC(NCC(N)=O)C1CCCCC1 Q59732 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.11128 O=C1CC2(CCNCC2)CCN1 O33508 [0,0,0,2,0,0|2,0,0]=4 72 B13R2.11128 O=C1CCCC2(CCNCC2)N1 I-9600 [0,0,0,2,0,0|2,0,0]=4 73 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Q56272 [0,0,0,2,0,0|2,0,0]=4 74 B13R2.11128 O=C1CCNC2(CCCCC2)C1 Q54143 [0,0,0,2,0,0|1,0,0]=3 75 B13R2.72 O=C(O)C1COC2CCCCC21 Q60597 [0,0,0,2,0,0|2,0,0]=4 76 B13R2.1287 O=C(O)CC1CN2CCC1CC2 P45233 [0,0,0,2,0,0|2,0,0]=4 77 B13R2.1287 O=C(O)CC1CN2CCC1CC2 P45673 [0,0,0,2,0,0|2,0,0]=4 78 B13R2.435 O=C(O)C1CC2CCCCC2N1 Q68911 [0,0,0,2,0,0|2,0,0]=4 79 B13R2.435 O=C(O)C1CC2CCCCN2C1 Q59174 [0,0,0,2,0,0|2,0,0]=4 80 B13R2.435 O=C(O)C1CC2CCCCN2C1 Q59175 [0,0,0,2,0,0|2,0,0]=4 81 B13R2.435 O=C(O)C1CC2CCNCC2C1 Q61380 [0,0,0,2,0,0|2,0,0]=4 82 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1 Q54450 [0,0,0,2,0,0|2,0,0]=4 83 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C(=O)O)C2 P44556 [0,0,0,2,0,0|2,0,0]=4 84 B13R2.4742 N[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2C(=O)O P45402 [0,0,0,2,0,0|2,0,0]=4 85 B13R2.4958 NC1CC2CCC1C2CC(=O)O P48183 [0,0,0,2,0,0|2,0,0]=4 86 B13R2.35 O=C(O)C1CNCC12CCCC2 Q54140 [0,0,0,2,0,0|2,0,0]=4 87 B13R2.13779 O=C(O)C1C2CCCC1CNC2 P44200 [0,0,0,2,0,0|2,0,0]=4 88 B13R2.13779 O=C(O)C1C2CCCC1CNC2 P49208 [0,0,0,2,0,0|2,0,0]=4 89 B13R2.13779 O=C(O)[C@@H]1[C@@H]2CCC[C@H]1CNC2 P48759 [0,0,0,2,0,0|2,0,0]=4 90 B13R2.13779 O=C(O)[C@H]1[C@@H]2CCC[C@H]1CNC2 P50786 [0,0,0,2,0,0|2,0,0]=4 91 B13R2.14125 O=C(O)CC12CCCN1CCC2 G-6047 [0,0,0,2,0,0|2,0,0]=4 92 B13R2.14125 O=C(O)CC12CCCN1CCC2 I-9582 [0,0,0,2,0,0|2,0,0]=4 93 B13R2.13687 O=C(O)C1CC12CCCCCC2 Q54183 [0,0,0,2,0,0|1,0,0]=3